prop-1-yne-1,3-diamine

C3H6N2 — CID 14768538

IUPACprop-1-yne-1,3-diamine
SMILESNC#CCN
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h2,4-5H2
InChIKeyATRZSGMIHKQJNY-UHFFFAOYSA-N
MW70.09 g/mol
LogP-1.14
Rot. Bonds

About prop-1-yne-1,3-diamine

prop-1-yne-1,3-diamine (PubChem CID 14768538) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is prop-1-yne-1,3-diamine.

Molecular Properties

Compound Nameprop-1-yne-1,3-diamine
PubChem CID14768538
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Nameprop-1-yne-1,3-diamine
SMILESNC#CCN
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h2,4-5H2
InChIKeyATRZSGMIHKQJNY-UHFFFAOYSA-N
XLogP-1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Propargylamine
CID 239041
2,4-Hexadiyne-1,6-diamine
CID 10057458
1,4-Diamino-2-butyne
CID 124159
4-Aminobut-2-ynenitrile
CID 16005117
Prop-2-ynylazanium
CID 3763155
3-Azidopropargylamine
CID 129892727
Lithium prop-2-yn-1-amine
CID 17823175
Actinium;prop-2-ynylazanide
CID 21299394
azane;N-iodoprop-2-yn-1-amine
CID 22123346
Prop-2-yne-1,1-diamine
CID 53930542
CID 58585165
CID 58585165
6-Azaniumylhexa-2,4-diynylazanium
CID 59154286

Frequently Asked Questions

What is the IUPAC name of prop-1-yne-1,3-diamine?
The IUPAC name of prop-1-yne-1,3-diamine (CID 14768538) is prop-1-yne-1,3-diamine.
What is the SMILES notation for prop-1-yne-1,3-diamine?
The canonical SMILES for prop-1-yne-1,3-diamine is NC#CCN.
What is the InChIKey of prop-1-yne-1,3-diamine?
The InChIKey is ATRZSGMIHKQJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2/c4-2-1-3-5/h2,4-5H2.
What are the key properties of prop-1-yne-1,3-diamine?
prop-1-yne-1,3-diamine has a molecular weight of 70.09 g/mol, XLogP of -1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-yne-1,3-diamine is sourced from PubChem (CID 14768538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).